tetramethylazanium fluoride

• ChemBase ID: 149804
• Molecular Formular: C4H12FN
• Molecular Mass: 93.1431832
• Monoisotopic Mass: 93.09537761
• SMILES: C[N+](C)(C)C.[F-]
• Canonical SMILES: C[N+](C)(C)C.[F-]
• InChI: InChI=1S/C4H12N.FH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
• InChIKey: GTDKXDWWMOMSFL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium fluoride
• IUPAC Traditional name: tetramethylammonium fluoride
• Synonyms: TMAF; Tetramethylammonium fluoride; 四甲基氟化铵

Database IDs

• CAS Number: 373-68-2
• EC Number: 206-769-0
• MDL Number: MFCD00011627
• PubChem SID: 162243966; 24869514
• PubChem CID: 67803

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (CH3)4NF

DETAILS

Sigma Aldrich - 459135

Application
Useful for halogen exchange.
Reactant for:
• Halide-induced ring opening of 2-substituted aziridinium salts1
• Synthesis of fluoro aromatics via fluorodenitration reactions2,3
• Synthesis of sevoflurane in ionic liquids by halogen-exchange fluorination4
• Synthesis of fluorinated Poly(oxomolybdates)5
Packaging
1, 5 g in glass bottle